SCHEMBL9645197

SCHEMBL9645197

O=C1NCCN(c2nc3ccccc3o2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.51
CRBN Q96SW2 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9645883 0.78 CRBN (0.52) ALOX5CRBNCHRNA7HTR3AGABRP
SCHEMBL195554 0.70 HTR6 (0.53) CRBNCHRNA7HTR3A
SCHEMBL9645242 0.69 CRBN (0.52) ALOX5CRBN
SCHEMBL2029721 0.69 CRBN (0.60) CRBNGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL4058879 0.69 HTR6 (0.52) CRBNCHRNA7HTR3A
SCHEMBL21047790 0.69 CRBN (0.54) CRBNCHRNA7HTR3AGABRPGABRD
SCHEMBL6009938 0.69 ALOX5 (1.00) ALOX5
SCHEMBL9645648 0.69 ALOX5 (0.57) ALOX5HTR3A
SCHEMBL2201069 0.68 CHRNA7 (0.54) CRBNCHRNA7HTR3A
SCHEMBL21979401 0.68 GAA (0.52) CRBNCHRNA7HTR3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed